Basic information
- Name:
Pyridine,5-chloro-2-fluoro-4-iodo-
- Superlist Name:
- 5-Chloro-2-fluoro-4-iodopyridine
- CAS No.:
659731-48-3
- Molecular Structure:
- Formula:
- C5H2ClFIN
- Molecular Weight:
- 257.432
- Synonyms:
- 5-Chloro-2-fluoro-4-iodopyridine;2-Chloro-5-fluoro-4-iodopyridine;
- Density:
- 2.129 g/cm3
- Boiling Point:
- 250.835 °C at 760 mmHg
- Flash Point:
- 105.502 °C
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
Xi
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Specification
The IUPAC name of Pyridine,5-chloro-2-fluoro-4-iodo- is 5-chloro-2-fluoro-4-iodopyridine. With the CAS registry number 659731-48-3, it is also named as 2-Chloro-5-fluoro-4-iodopyridine. The product is white to light yellow crystal powder. In addition, its molecular formula is C5H2ClFIN and its molecular weight is 257.432.
The other characteristics of Pyridine,5-chloro-2-fluoro-4-iodo- can be summarized as: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 768; (6)ACD/BCF (pH 7.4): 768; (7)ACD/KOC (pH 5.5): 4045; (8)ACD/KOC (pH 7.4): 4045; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 120.89 cm3; (16)Polarizability: 16.705×10-24cm3; (17)Surface Tension: 49.109 dyne/cm; (18)Density: 2.129 g/cm3; (19)Flash Point: 105.502 °C; (20)Enthalpy of Vaporization: 46.838 kJ/mol; (21)Boiling Point: 250.835 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(c(cnc1F)Cl)I
(2)InChI: InChI=1/C5H2ClFIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
(3)InChIKey: MAQBAWYSDZIKIC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H2ClFIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
(5)Std. InChIKey: MAQBAWYSDZIKIC-UHFFFAOYSA-N